CID 50988017

[1-(2,2-diethoxyethyl)-1h-1,2,3-triazol-4-yl]methanol

Structural Information

Molecular Formula
C9H17N3O3
SMILES
CCOC(CN1C=C(N=N1)CO)OCC
InChI
InChI=1S/C9H17N3O3/c1-3-14-9(15-4-2)6-12-5-8(7-13)10-11-12/h5,9,13H,3-4,6-7H2,1-2H3
InChIKey
IFYADEJPZUKXLS-UHFFFAOYSA-N
Compound name
[1-(2,2-diethoxyethyl)triazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.127 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.13428 148.9
[M+Na]+ 238.11622 158.1
[M+NH4]+ 233.16082 154.0
[M+K]+ 254.09016 156.0
[M-H]- 214.11972 146.5
[M+Na-2H]- 236.10167 151.7
[M]+ 215.12645 149.0
[M]- 215.12755 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.